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Home> Hot Product Listed 1   > 1-Hexanol, 3,3,4,4,5,5,6,6-octafluoro-
481-21-0 structure

1-Hexanol, 3,3,4,4,5,5,6,6-octafluoro-

Iupac Name:(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS No.:481-21-0
Molecular Weight:372.681
Molecular Formula:C12H14S2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChkey
XIIAYQZJNBULGD-XWLABEFZSA-N
Canonical Smiles
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Properties
Melting Point
78-80 °C
Boiling Point
335.9°C at 760 mmHg
Vapour
1.47E-07mmHg at 25°C
Refractive Index
1.492
HS Code
29021990
Safety and Handling
Risk Statements
R22
Safety Statements
24/25-36/37
Transport
UN 1888 6
Computational chemical data
  • Molecular Weight:372.681g/mol
  • Molecular Formula:C12H14S2
  • Compound Is Canonicalized:True
  • Exact Mass:372.376
  • Monoisotopic Mass:372.376
  • Complexity:506
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGAAAAAAADwCAAAACAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAQAACAAA AA==
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